orbital_charges     :real:2:4,3
  0.954208178408594E+000  0.738699731507326E+000  0.100000000000000E+001
  0.100000000000000E+001  0.653546045042041E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.653546045042040E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,3
 -0.893390752952629E-031 -0.718799664290204E-001 -0.257260979088974E-015
  0.176517492708293E-016  0.359399832145104E-001  0.588540335070918E-001
 -0.176517492708292E-016  0.359399832145100E-001 -0.588540335070915E-001
mermin_energy       :real:0:
 -0.373352575042164E+001
end_coords          :real:2:3,3
  0.000000000000000E+000 -0.188972598857892E+001  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.147977639152057E+001
  0.000000000000000E+000  0.000000000000000E+000 -0.147977639152057E+001
